Computers in Biology and Medicine · 2020 · 14 citations · 54 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryPharmacophore ModelingLigand BindingMolecular DockingPharmacophore MappingPharmacophore ScreeningProtein-ligand DockingVirtual ScreeningDocking-based Drug DesignHistone DeacetylasesInhibitor ScreeningLigand-based Pharmacophore ScreeningMolecular Docking AnalysisMolecular Docking Of InhibitorsPharmacophore-guided DockingSelective Pharmacophore Screening
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Constant pressure molecular dynamics algorithms
Glenn Martyna, Douglas J. Tobias, Michael L. Klein · The Journal of Chemical Physics · 1994 · 5.9K citations
Natural Sciences, Chemistry, Physics +13